| Entry |
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| Name |
Metrizoate sodium (USAN);
Sodium metrizoate (JAN/INN) |
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| Formula |
C12H10I3N2O4. Na
|
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| Exact mass |
649.7672
|
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| Mol weight |
649.92
|
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| Structure |
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| Simcomp |
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| Remark |
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| Efficacy |
Diagnostic aid (radiopaque medium) |
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| Interaction |
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| Structure map |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
V VARIOUS
V08 CONTRAST MEDIA
V08A X-RAY CONTRAST MEDIA, IODINATED
V08AA Watersoluble, nephrotropic, high osmolar X-ray contrast media
V08AA02 Metrizoic acid
D01880 Metrizoate sodium (USAN)
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 22
1 C8y C 16.0425 -12.9150
2 C8y C 16.0425 -14.3151
3 C8y C 17.2579 -15.0151
4 C8y C 18.4662 -14.3151
5 C8y C 18.4662 -12.9150
6 C8y C 17.2579 -12.2150
7 X I 19.6791 -12.2158
8 X I 14.8302 -12.2143
9 X I 17.2596 -16.4152
10 C6a C 17.2596 -10.8149
11 O6a O 18.4730 -10.1164 #-
12 O6a O 16.0479 -10.1133
13 N1b N 19.6791 -15.0143
14 C5a C 20.8912 -14.3132
15 C1a C 22.1043 -15.0124
16 O5a O 20.8902 -12.9131
17 N1c N 14.8302 -15.0158
18 C5a C 13.6173 -14.3163
19 C1a C 14.8309 -16.4159
20 O5a O 13.6167 -12.9162
21 C1a C 12.4053 -15.0170
22 Z Na 20.8155 -10.0795 #+
BOND 21
1 3 4 2
2 10 11 1
3 4 5 1
4 10 12 2
5 5 6 2
6 4 13 1
7 6 1 1
8 13 14 1
9 14 15 1
10 5 7 1
11 14 16 2
12 2 17 1
13 1 8 1
14 17 18 1
15 1 2 2
16 17 19 1
17 3 9 1
18 18 20 2
19 2 3 1
20 18 21 1
21 6 10 1
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